SCHEMBL4605045

SCHEMBL4605045

C=CCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.57
CA1 P00915 14/20 0.57
CA9 Q16790 13/20 0.57
CA12 O43570 12/20 0.57
CA7 P43166 7/20 0.57
CA5A P35218 6/20 0.57
CA5B Q9Y2D0 6/20 0.57
CA14 Q9ULX7 6/20 0.57
CA4 P22748 5/20 0.57
CA6 P23280 5/20 0.57
MAPT P10636 1/20 0.55
CA3 P07451 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL9404175 0.98 CA2 (0.55) CA2CA1CA9CA12CA7
SCHEMBL636220 0.83 POLB (0.52) CA2CA1CA9CA12CA7
SCHEMBL1698660 0.80 CA2 (0.60) CA2CA1CA9CA12CA7
SCHEMBL7937162 0.79 CNR2 (0.45) CA2CA1CA9CA12CA7
SCHEMBL4132579 0.79 CNR2 (0.45) CA2CA1CA9CA12CA7
SCHEMBL87584 0.79 TDP1 (0.55) CA2CA1CA9CA12CA7
SCHEMBL11330497 0.79 ALDH1A1 (0.53) CA2CA1CA9CA12CA7
SCHEMBL4132583 0.78 TDP1 (0.53) MAPTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL6669195 0.78 TDP1 (0.53) MAPTSMN1; SMN2
SCHEMBL11869683 0.78 CA2 (0.55) CA2CA1CA9CA12CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873200-A1 An improved process for making an external plasticization of aliphatic polyamides and plasticizers useful for said plasticization Arkema France (FR) 2008-01-02 EP claimed
US-4820346-A Ink jet printer ink HOWTEK, INC. (US) 1989-04-11 US claimed
CN-115279834-A Plasticized polyamide molding compositions 巴斯夫欧洲公司 2022-11-01 CN disclosed
US-20080312404-A1 Novel diepoxides and epoxy resins PEWS R GARTH 2008-12-18 US disclosed
US-7462728-B2 Diepoxide derivatives of N,N*-disubstituted disulfonamides PEWS R GARTH 2008-12-09 US disclosed
EP-1873200-A1 An improved process for making an external plasticization of aliphatic polyamides and plasticizers useful for said plasticization Arkema France (FR) 2008-01-02 EP disclosed
US-20060128978-A1 Diepoxide derivatives of N, N*-disubstituted disulfonamides PEWS R G 2006-06-15 US disclosed
US-5859036-A ANTIINFLAMMATORY AGENTS, ANALGESICS LABORATORIES UPSA (FR) 1999-01-12 US disclosed